1-(2-methylphenyl)tetrazole;hydrochloride

C8H9ClN4 — CID 174468330

IUPAC1-(2-methylphenyl)tetrazole;hydrochloride
SMILESCc1ccccc1-n1cnnn1.Cl
InChIInChI=1S/C8H8N4.ClH/c1-7-4-2-3-5-8(7)12-6-9-10-11-12;/h2-6H,1H3;1H
InChIKeyVOUVVADGJDLXDW-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.39
Rot. Bonds1

About 1-(2-methylphenyl)tetrazole;hydrochloride

1-(2-methylphenyl)tetrazole;hydrochloride (PubChem CID 174468330) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 1-(2-methylphenyl)tetrazole;hydrochloride.

Molecular Properties

Compound Name1-(2-methylphenyl)tetrazole;hydrochloride
PubChem CID174468330
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name1-(2-methylphenyl)tetrazole;hydrochloride
SMILESCc1ccccc1-n1cnnn1.Cl
InChIInChI=1S/C8H8N4.ClH/c1-7-4-2-3-5-8(7)12-6-9-10-11-12;/h2-6H,1H3;1H
InChIKeyVOUVVADGJDLXDW-UHFFFAOYSA-N
XLogP1.39
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)tetrazole;hydrochloride?
The IUPAC name of 1-(2-methylphenyl)tetrazole;hydrochloride (CID 174468330) is 1-(2-methylphenyl)tetrazole;hydrochloride.
What is the SMILES notation for 1-(2-methylphenyl)tetrazole;hydrochloride?
The canonical SMILES for 1-(2-methylphenyl)tetrazole;hydrochloride is Cc1ccccc1-n1cnnn1.Cl.
What is the InChIKey of 1-(2-methylphenyl)tetrazole;hydrochloride?
The InChIKey is VOUVVADGJDLXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4.ClH/c1-7-4-2-3-5-8(7)12-6-9-10-11-12;/h2-6H,1H3;1H.
What are the key properties of 1-(2-methylphenyl)tetrazole;hydrochloride?
1-(2-methylphenyl)tetrazole;hydrochloride has a molecular weight of 196.64 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)tetrazole;hydrochloride is sourced from PubChem (CID 174468330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).